Exercise 7.

3
Determine the symmetry elements and assign the point group of (a) NH 2Cl, (b) CO32, (c) SiF4, (d)
HCN, (e) SiFClBrI, (f) BF4.

Answer
Use VSEPR to find the structure and then assign the point group and identify the symmetry
elements.
(a) NH2Cl

Point group = Cs
Symmetry elements: E,

(b) CO32

Point group = D3h

Symmetry elements: E, C3, C2,

, S4

(c) SiF4

Point group = Td
Symmetry elements: E, C3, C2,

, S3

(d) HCN

Point group = C

Symmetry elements: E, C

(e) SiFClBrI

Point group = C1
Symmetry elements: E

(f) BF4

Point group = Td
Symmetry elements: E, C3, C2,

, S4

Determine the point group of SnF4, SeF4, and BrF4.

Answer
Use VSEPR to find the structure and then assign the point group.
SnF4

Point group = Td

SeF4

Point group = C2v

BrF4

Point group = D4h

Problem 7.1Consider a molecule IF3O2 (with I as the central atom).

How many isomers are possible? Which is likely to have the lowest
energy? Assign point group designations to each isomer.

Answer
The Lewis dot structure is:

The electron distribution is based on 5 sites, so a trigonal bipyramidal

distribution is used. This leads to 3 different isomers (both O axial, both O
equatorial, and 1 O axial and 1 O equatorial), as shown below with the
appropriate point group.

The C2v structure is most likely the lowest energy because this minimizes the
number of 90o repulsions between the I=O double bonds and the I-F single
bonds.
Group Theory Solutions: #1
1. Identify the point group of each of the following pictures. Which are
chiral? Which have dipole moments?
A. five-pointed star

Hay un eje de rotacin 5 veces perpendicular al plano de la pgina. Hay 5 C2

ejes perpendiculares al eje de rotacin principales, por lo que este es un grupo
D. Hay un plano de simetra en el plano de la pgina (perpendicular al eje de
rotacin principio), por lo que este grupo es D5h, que no es quiral o polar.
Ntese que el uso de los criterios de bsqueda simplificado, que no tuvimos
que hacer una lista de todos los elementos de simetra que la imagen tiene el
fin de decidir sobre un grupo de puntos (claramente hay rotaciones
inadecuadas, etc.).

B. Star of David

Hay un eje de rotacin 6 veces perpendicular al plano de la pgina. Hay 6 C2

ejes perpendiculares al eje de rotacin principales, por lo que este es un grupo
D. Hay un plano de simetra en el plano de la pgina (perpendicular al eje de
rotacin principio), por lo que este grupo es d6h. Tenga en cuenta que a
diferencia de la imagen en la parte a, esta imagen tiene un centro de inversin.
Un interesante hecho de trivia es que todos los grupos Dnh donde n es siquiera
tienen un centro de inversin; los grupos Dnh donde n es impar, no. En
cualquier caso, ninguna molcula grupo Dnh es polar o quiral.

C. baseball

Given this baseball (and assuming it looks the same from behind), we have the
following symmetry elements:

We also have mirror planes containing all three axes. Therefore the point group
of this picture is D2h, which is neither chiral or polar.
D. pencil

This linear picture has a C-infinity rotation axis along the axis of the pencil and
no inversion center. Therefore the pencil is C-infinity-v. This is not a chiral
group, but it is polar.